Task 38644640

Name	shp2_A20_A09_r0_4-QUICO_ATM_OpenFF23_NAGL_shp2-0-6-RND7460_6
Workunit	31589692
Created	9 May 2026, 4:02:26 UTC
Sent	9 May 2026, 4:02:31 UTC
Report deadline	14 May 2026, 4:02:31 UTC
Received	9 May 2026, 4:03:23 UTC
Server state	Over
Outcome	Computation error
Client state	Aborted by user
Exit status	203 (0x000000CB) EXIT_ABORTED_VIA_GUI
Computer ID	649650
Run time	9 sec
CPU time
Validate state	Invalid
Credit	0.00
Device peak FLOPS	29,154.93 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	10.77 MB
Peak swap size	5.18 MB
Peak disk usage	1.52 GB

Stderr output

<core_client_version>8.2.9</core_client_version> <![CDATA[ <message> aborted by user</message> <stderr_txt> 23:03:08 (13108): wrapper (7.9.26016): starting 23:03:08 (13108): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2) QB_A20_A09_0.pdb QB_A20_A09_0.xml QB_A20_A09.inpcrd QB_A20_A09_input.yaml QB_A20_A09.pdb QB_A20_A09.prmtop QB_A20_A09_sys.xml run.bat run.sh 23:03:09 (13108): Library/usr/bin/tar.exe exited; CPU time 0.000000 23:03:09 (13108): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat) Detected memory leaks! Dumping objects -> ..\api\boinc_api.cpp(309) : {3835478} normal block at 0x0000021F9BE8E250, 8 bytes long. Data: < ; > 00 00 3B 9C 1F 02 00 00 ..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x0000021F9BF6DE30, 1080 bytes long. Data: < > 84 10 00 00 CD CD CD CD D4 01 00 00 00 00 00 00 ..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000021F9BE80EB0, 260 bytes long. Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 Object dump complete. </stderr_txt> ]]>